phenyl 1-(2-hydroxyphenyl)-4-methylsulfanyl-pyrrole-3-sulfonate

Systemtic Name: phenyl 1-(2-hydroxyphenyl)-4-methylsulfanyl-pyrrole-3-sulfonate Openeye Name: phenyl 1-(2-hydroxyphenyl)-4-methylsulfanyl-pyrrole-3-sulfonate CAS Name: 1-(2-hydroxyphenyl)-4-(methylthio)-3-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 1-(2-hydroxyphenyl)-4-methylsulfanylpyrrole-3-sulfonate Traditional Name: 1-(2-hydroxyphenyl)-4-(methylthio)pyrrole-3-sulfonic acid phenyl ester Formula: C17H15NO4S2 MolecularWeight: 361.4353

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CN(C=C1S(=O)(=O)OC2=CC=CC=C2)C3=CC=CC=C3O

Isomeric SMILES

CSC1=CN(C=C1S(=O)(=O)OC2=CC=CC=C2)C3=CC=CC=C3O

InChI

InChI=1S/C17H15NO4S2/c1-23-16-11-18(14-9-5-6-10-15(14)19)12-17(16)24(20,21)22-13-7-3-2-4-8-13/h2-12,19H,1H3